SCHEMBL9908022

SCHEMBL9908022

COC(=O)c1ccc2c(Cl)cnc(-c3ccc(F)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.52
HTR5A P47898 2/20 0.47
GABRA5 P31644 3/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK13 O15264 1/20 0.42
ALOX5 P09917 1/20 0.42
GCGR P47871 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
PARP1 P09874 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9907703 0.88 MAP2K4 (0.54) MAP2K4HTR5AGABRA5CSNK2A2CSNK2B
SCHEMBL9907706 0.88 MAP2K4 (0.45) MAP2K4HTR5AGABRA5CSNK2A2CSNK2B
SCHEMBL9907683 0.86 HTR5A (0.56) MAP2K4HTR5ACSNK2A2CSNK2BKDM4E
SCHEMBL9907745 0.85 HTR5A (0.55) MAP2K4HTR5AGABRA5CSNK2A2CSNK2B
SCHEMBL9907731 0.85 HTR5A (0.67) MAP2K4HTR5AGABRA5MAPTMAPK13
SCHEMBL9907996 0.85 HTR5A (0.51) MAP2K4HTR5AGABRA5CSNK2A2CSNK2B
SCHEMBL9907437 0.84 HTR5A (0.54) MAP2K4HTR5AMAPTALDH1A1HPGD
SCHEMBL9908003 0.84 HTR5A (0.52) MAP2K4HTR5AKDM4EMAPTHPGD
SCHEMBL9907675 0.84 HTR5A (0.54) MAP2K4HTR5AKDM4EMAPTHPGD
SCHEMBL9907704 0.83 CSNK2A2 (0.54) MAP2K4HTR5AGABRA5CSNK2A2CSNK2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MAP2K4 3941/4885HTR5A 1/4885GABRA5 94/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.